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Zinc in PDB 6s9z: Expression Tag Modified N-Terminus of Human Carbonic Anhydrase II Covalently Linked to Fragment

Enzymatic activity of Expression Tag Modified N-Terminus of Human Carbonic Anhydrase II Covalently Linked to Fragment

All present enzymatic activity of Expression Tag Modified N-Terminus of Human Carbonic Anhydrase II Covalently Linked to Fragment:
4.2.1.1;

Protein crystallography data

The structure of Expression Tag Modified N-Terminus of Human Carbonic Anhydrase II Covalently Linked to Fragment, PDB code: 6s9z was solved by S.Gloeckner, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.03 / 0.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.354, 41.280, 72.421, 90.00, 104.65, 90.00
R / Rfree (%) 11.9 / 13.7

Other elements in 6s9z:

The structure of Expression Tag Modified N-Terminus of Human Carbonic Anhydrase II Covalently Linked to Fragment also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Mercury (Hg) 2 atoms
Sodium (Na) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Expression Tag Modified N-Terminus of Human Carbonic Anhydrase II Covalently Linked to Fragment (pdb code 6s9z). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Expression Tag Modified N-Terminus of Human Carbonic Anhydrase II Covalently Linked to Fragment, PDB code: 6s9z:

Zinc binding site 1 out of 1 in 6s9z

Go back to Zinc Binding Sites List in 6s9z
Zinc binding site 1 out of 1 in the Expression Tag Modified N-Terminus of Human Carbonic Anhydrase II Covalently Linked to Fragment


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Expression Tag Modified N-Terminus of Human Carbonic Anhydrase II Covalently Linked to Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:4.8
occ:1.00
 NE2 A:HIS94 2.0 4.5 1.0
ND1 A:HIS119 2.0 4.3 1.0
NE2 A:HIS96 2.1 4.9 1.0
CE1 A:HIS119 2.9 4.5 1.0
CD2 A:HIS94 3.0 4.8 1.0
CE1 A:HIS94 3.0 4.8 1.0
CE1 A:HIS96 3.1 5.5 1.0
CD2 A:HIS96 3.1 4.8 1.0
HE1 A:HIS119 3.1 5.4 1.0
CG A:HIS119 3.1 4.0 1.0
HD2 A:HIS94 3.2 5.8 1.0
HB2 A:HIS119 3.2 5.1 1.0
HE1 A:HIS94 3.2 5.8 1.0
HD2 A:HIS96 3.2 5.7 1.0
HE1 A:HIS96 3.2 6.6 1.0
HG1 A:THR199 3.5 6.5 1.0
CB A:HIS119 3.6 4.2 1.0
O A:HOH508 3.7 14.7 1.0
HB3 A:HIS119 3.7 5.1 1.0
OG1 A:THR199 3.8 5.4 1.0
OE1 A:GLU106 4.1 5.1 1.0
NE2 A:HIS119 4.1 4.7 1.0
ND1 A:HIS94 4.1 4.9 1.0
CG A:HIS94 4.2 4.4 1.0
ND1 A:HIS96 4.2 5.9 1.0
CD2 A:HIS119 4.2 4.5 1.0
CG A:HIS96 4.2 4.8 1.0
HH2 A:TRP209 4.3 7.1 1.0
HG23 A:THR200 4.6 9.4 1.0
O A:HOH563 4.7 27.4 1.0
H A:THR199 4.8 6.5 1.0
HE2 A:HIS119 4.9 5.6 1.0
HD1 A:HIS94 4.9 5.8 1.0
HD1 A:HIS96 5.0 7.1 1.0
CD A:GLU106 5.0 4.9 1.0

Reference:

S.Glockner, A.Heine, G.Klebe. A Proof-of-Concept Fragment Screening of A Hit-Validated 96-Compounds Library Against Human Carbonic Anhydrase II. Biomolecules V. 10 2020.
ISSN: ESSN 2218-273X
PubMed: 32235320
DOI: 10.3390/BIOM10040518
Page generated: Tue Oct 29 07:04:18 2024

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